SCHEMBL16571158

SCHEMBL16571158

CNC(=O)c1cc2cc(C#N)cc(-c3ccc(Cl)cc3Cl)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALPL P05186 3/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ SYK P43405 2/20 0.37
▸ GUSB P08236 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ TMPRSS4 Q9NRS4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16571385 0.89 ALOX15 (0.47) ALOX15KMT2AMEN1CNR2GUSB
SCHEMBL16571420 0.87 ALOX15 (0.49) ALOX15KDM4EKMT2ALMNAGAA
SCHEMBL16571189 0.85 KDM4E (0.43) KDM4EDPP4DPP8KMT2AMEN1
SCHEMBL16571406 0.81 PDE4A (0.41) ALOX15SYKNUDT1
SCHEMBL16570654 0.80 RIPK1 (0.41) ALOX15KMT2AMEN1ALPL
SCHEMBL19478398 0.79 XDH (0.39) ALOX15METKDRSYK
SCHEMBL16571121 0.79 XDH (0.39) ALOX15NUDT1
SCHEMBL16571148 0.78 NUDT1 (0.43) ALOX15SYKNUDT1
SCHEMBL16571097 0.78 CCNC (0.46) ALOX15KDM4ELMNAHPGDSYK
SCHEMBL16571417 0.78 XDH (0.38) ALOX15KDM4EKMT2AMEN1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO disclosed
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